4-[(5-chloranyl-4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)sulfanyl]-N,2-bis(ethylsulfanyl)pentanamide

Systemtic Name: 4-[(5-chloranyl-4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)sulfanyl]-N,2-bis(ethylsulfanyl)pentanamide Openeye Name: 4-[(5-chloro-7-isopropyl-4-methyl-1,3-benzoxazol-2-yl)sulfanyl]-N,2-bis(ethylsulfanyl)pentanamide CAS Name: 4-[(5-chloro-4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)thio]-N,2-bis(ethylthio)pentanamide IUPAC Name: 4-[(5-chloro-4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)sulfanyl]-N,2-bis(ethylsulfanyl)pentanamide Traditional Name: 4-[(5-chloro-7-isopropyl-4-methyl-1,3-benzoxazol-2-yl)thio]-N,2-bis(ethylthio)valeramide Formula: C20H29ClN2O2S3 MolecularWeight: 461.10446

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(C)SC1=NC2=C(O1)C(=CC(=C2C)Cl)C(C)C)C(=O)NSCC

Isomeric SMILES

CCSC(CC(C)SC1=NC2=C(O1)C(=CC(=C2C)Cl)C(C)C)C(=O)NSCC

InChI

InChI=1S/C20H29ClN2O2S3/c1-7-26-16(19(24)23-27-8-2)9-12(5)28-20-22-17-13(6)15(21)10-14(11(3)4)18(17)25-20/h10-12,16H,7-9H2,1-6H3,(H,23,24)